A3757/0159324
TL;DR: A3757/0159324 (CAS 579446-67-6) is a chemical compound with molecular formula C16H19N3O2S and molecular weight 317.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: A3757/0159324, 4-(4-methylphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 3-hydroxy-4-(4-methylphenyl)-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 7-hydroxy-4-(4-methylphenyl)-1-(propan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one, 3-hydroxy-1-isopropyl-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
| Molecular Formula | C16H19N3O2S |
|---|---|
| Molecular Weight | 317.12 g/mol |
| LogP | 2.84042 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.1198 |
| Heavy Atoms | 22 |
| Complexity | 758.68835 |
Chemical Identifiers
| CAS Number | 579446-67-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C(C)C |
Product Overview
A3757/0159324 (CAS 579446-67-6), with molecular formula C16H19N3O2S and molecular weight 317.12 g/mol. IUPAC: 4-(4-methylphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of A3757/0159324
Property Insights of A3757/0159324
The XLogP value of 2.84042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3757/0159324. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for A3757/0159324. Following Lipinski's Rule of Five, A3757/0159324 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3757/0159324?
The CAS number of A3757/0159324 is 579446-67-6.
What is the molecular formula of A3757/0159324?
The molecular formula of A3757/0159324 is C16H19N3O2S.
What is the molecular weight of A3757/0159324?
The molecular weight of A3757/0159324 is 317.12 g/mol.
Where can I buy A3757/0159324?
You can request a quote for A3757/0159324 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3757/0159324?
Yes, KEHONG BIO provides custom synthesis services for A3757/0159324 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.